ROTATIONAL SPECTRUM OF 1,1-DIFLUOROETHANE - INTERNAL-ROTATION ANALYSIS AND STRUCTURE

被引:51
作者
VILLAMANAN, RM
CHEN, WD
WLODARCZAK, G
DEMAISON, J
LESARRI, AG
LOPEZ, JC
ALONSO, JL
机构
[1] UNIV LILLE 1,SPECT HERTZIENNE LAB,CNRS,URA 249,F-59655 VILLENEUVE DASCQ,FRANCE
[2] UNIV VALLADOLID,FAC CIENCIAS,DEPT QUIM FIS,E-47005 VALLADOLID,SPAIN
[3] ESCUELA UNIV PROFASORADO,EG B,DEPT DIDACT CIENCIAS EXPTL,SORIA,SPAIN
[4] UNIV LITTORAL,PHYSICOCHIM ATMOSPHERE LAB,F-59375 DUNKERQUE,FRANCE
关键词
D O I
10.1006/jmsp.1995.1114
中图分类号
O64 [物理化学(理论化学)、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号
070203 ; 070304 ; 081704 ; 1406 ;
摘要
The rotational spectrum of CH3CHF2 in its ground state was measured up to 653 GHz. Accurate rotational and centrifugal distortion constants were determined. The internal rotation splittings were analyzed using the internal axis method. An ab initio structure has been calculated and a near-equilibrium structure has been estimated using offsets derived empirically. This structure was compared to an experimental r(0) structure. The four lowest excited states (including the methyl torsion) have also been assigned. (C) 1995 Academic Press, Inc.
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收藏
页码:223 / 247
页数:25
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